The PDB extract tool can be used to create the proper format mmCIF file from coordinates uploaded in PDB format.
https://pdb-extract.wwpdb.org https://pdb-extract.wwpdb.org/tutorial.html Diana ************************************************** Diana R. Tomchick Professor Departments of Biophysics and Biochemistry UT Southwestern Medical Center 5323 Harry Hines Blvd. Rm. ND10.214A Dallas, TX 75390-8816 diana.tomch...@utsouthwestern.edu<mailto:diana.tomch...@utsouthwestern.edu> (214) 645-6383 (phone) (214) 645-6353 (fax) On Feb 20, 2019, at 1:09 PM, Tim Grüne <tim.gru...@psi.ch<mailto:tim.gru...@psi.ch>> wrote: Dear John, dear CCP4, Is there a converter from CIF to mmCIF? Some structures are refined with Shelxl, which can output CIF. A converter would be very useful, even if they make only a small fraction of the PDB. Best regards, Tim On February 20, 2019 9:06:22 AM GMT+01:00, John Berrisford <j...@ebi.ac.uk<mailto:j...@ebi.ac.uk>> wrote: From July 1st 2019 onward, mmCIF format files will become mandatory for crystallographic depositions to the Protein Data Bank. PDB format files will no longer be accepted for deposition of structures solved by these techniques. PDBx/mmCIF will be the only format accepted for deposition of PDB structures resulting from macromolecular crystallography (MX), including X-ray, neutron, fiber, and electron diffraction methods via OneDep starting July 1st 2019. The deposition of PDBx/mmCIF format files will improve the efficiency of the deposition process and enhance validation through capture of the more extensive experimental metadata supported by PDBx/mmCIF, compared to the legacy PDB format. For information about these changes, please visit the wwPDB news page<https://www.wwpdb.org/news/news?year=2019#5c6ad3c5ea7d0653b99c8766>. If you have any queries or comments regarding these changes, please contact the wwPDB consortium via deposit-h...@mail.wwpdb.org<mailto:deposit-h...@mail.wwpdb.org>. The wwPDB consortium -- John Berrisford PDBe European Bioinformatics Institute (EMBL-EBI) European Molecular Biology Laboratory Wellcome Trust Genome Campus Hinxton Cambridge CB10 1SD UK Tel: +44 1223 492529 http://www.pdbe.org<http://www.pdbe.org/> http://www.facebook.com/proteindatabank http://twitter.com/PDBeurope ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 -- Sent from my Android device with K-9 Mail. Please excuse my brevity. ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ________________________________ UT Southwestern Medical Center The future of medicine, today. ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
